molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2159507 |
|
IC50 |
= |
350.0 |
nM |
507.47 |
CN(C)CCCOc1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1 |
Homo sapiens |
CHEMBL2162865 |
single protein format |
CHEMBL2159505 |
OBDepict
O
N
H
S
S
+
N
O
_
O
S
Cl
Cl
O
O
CH
3
N
|
IC50 |
= |
500.0 |
nM |
504.4 |
CS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1 |
Homo sapiens |
CHEMBL2162865 |
single protein format |
CHEMBL2159503 |
OBDepict
CH
3
N
CH
3
O
N
H
O
S
S
+
N
O
_
O
Cl
Cl
N
|
IC50 |
= |
530.0 |
nM |
527.46 |
CN(C)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1 |
Homo sapiens |
CHEMBL2162865 |
single protein format |
CHEMBL2159504 |
OBDepict
CH
3
O
N
H
O
S
S
+
N
O
_
O
Cl
Cl
N
|
IC50 |
= |
870.0 |
nM |
456.33 |
COc1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1 |
Homo sapiens |
CHEMBL2162865 |
single protein format |
CHEMBL2159508 |
OBDepict
N
S
S
N
H
O
Cl
Cl
N
S
O
O
CH
3
|
IC50 |
= |
1000.0 |
nM |
484.41 |
CS(=O)(=O)c1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1 |
Homo sapiens |
CHEMBL2162865 |
single protein format |